6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one

C25H34N2O2Si — CID 170594879

IUPAC6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
SMILESCN1CC2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2CC1=O
InChIInChI=1S/C25H34N2O2Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-19-21-16-15-20-17-26(4)24(28)18-27(20)21/h5-14,20-21H,15-19H2,1-4H3
InChIKeyXUBHBFCNWSGKOJ-UHFFFAOYSA-N
MW422.65 g/mol
LogP2.87
Rot. Bonds5

About 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one

6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one (PubChem CID 170594879) has the molecular formula C25H34N2O2Si and a molecular weight of 422.65 g/mol. Its IUPAC name is 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
PubChem CID170594879
Molecular FormulaC25H34N2O2Si
Molecular Weight422.65 g/mol
Exact Mass422.24
IUPAC Name6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
SMILESCN1CC2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2CC1=O
InChIInChI=1S/C25H34N2O2Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-19-21-16-15-20-17-26(4)24(28)18-27(20)21/h5-14,20-21H,15-19H2,1-4H3
InChIKeyXUBHBFCNWSGKOJ-UHFFFAOYSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The IUPAC name of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one (CID 170594879) is 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one.
What is the SMILES notation for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The canonical SMILES for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one is CN1CC2CCC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2CC1=O.
What is the InChIKey of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
The InChIKey is XUBHBFCNWSGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2Si/c1-25(2,3)30(22-11-7-5-8-12-22,23-13-9-6-10-14-23)29-19-21-16-15-20-17-26(4)24(28)18-27(20)21/h5-14,20-21H,15-19H2,1-4H3.
What are the key properties of 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one?
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one has a molecular weight of 422.65 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one is sourced from PubChem (CID 170594879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).